Variational reproducing kernel Hilbert space (RKHS) grid method for quantum mechanical bound-state problems

Xu Guang Hu, Tak San Ho, Herschel Rabitz

Research output: Contribution to journalArticlepeer-review

9 Scopus citations

Abstract

An efficient grid-based method is presented for numerically solving the bound-state Schrödinger equation. The method is based on utilizing the reproducing kernel Hilbert space technique to accurately interpolate between grid points for wavefunctions. A reproducing kernel of simple form for solving bound-state problems is introduced in terms of an appropriate Green's function, in conjunction with a simple and effective procedure for sampling unevenly spaced grid points. Numerical tests made on two model potentials demonstrate that the method can offer accurate results.

Original languageEnglish (US)
Pages (from-to)719-726
Number of pages8
JournalChemical Physics Letters
Volume288
Issue number5-6
DOIs
StatePublished - May 29 1998

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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